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| CAS No.: | 57500-34-2 |
|---|---|
| Name: | 1,3-DIIMINOISOINDOLINE |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.16 |
| Synonyms: | PHTHALIMIDDIIMID;2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIIMINE;1H-ISOINDOLE-1,3(2H)-DIIMINE;1,3-DIIMINOISOINDOLINE 98+%;1,3-Diiminoisoindoline,97%;1,3-Diminoisoindoline |
| EINECS: | 222-426-8 |
| Density: | 1.41 g/cm3 |
| Melting Point: | ~197 °C (dec.)(lit.) |
| Boiling Point: | 300.5 °C at 760 mmHg |
| Flash Point: | 135.5 °C |
| Appearance: | powder |
| Hazard Symbols: |
 T
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 59.73000 |
| LogP: | 1.46880 |
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Specification
This chemical is called 1H-Isoindole-1,3(2H)-diimine, and its systematic name is (1Z)-1-imino-1H-isoindol-3-amine. With the molecular formula of C8H7N3, its molecular weight is 145.16. The CAS registry number of the chemical is 57500-34-2. Additionally, its product categories are Functional Materials; Phthalonitriles & Naphthalonitriles; Phthalonitriles (Building Blocks for Phthalocyanines). However, this chemical should be sealed in the cool and dry place, ensuring that the workshop has a good ventilated or ventilating equipment.
Other characteristics of 1H-Isoindole-1,3(2H)-diimine can be summarised as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.59; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 27.96 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 41.19 cm3; (15)Molar Volume: 102.4 cm3; (16)Polarizability: 16.33×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 135.5 °C; (20)Enthalpy of Vaporization: 54.05 kJ/mol; (21)Boiling Point: 300.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00112 mmHg at 25°C.
Production method of this chemical: The 1H-Isoindole-1,3(2H)-diimine could be obtained by the reactant of Phthalonitrile. This reaction needs the reagent of NH3. The yield is 52 %. In addition, this reaction should be taken for 5 hours at heated condition.
-diimine.jpg)
Uses of this chemical: The 1H-Isoindole-1,3(2H)-diimine could react with 4-Methyl-phenethylamine, and obtain the 1,3-Bis-(2-p-tolyl-ethylimino)-2,3-dihydro-1H-isoindole. This reaction needs the solvent of 2-Methyl-propan-2-ol. The yield is 45 %. In addition, this reaction should be taken for 16 hours at the temperature of 80 °C.
-diimine.jpg)
-diimine(2).jpg)
When you are using this chemical, please be cautious about it as the following: The chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [N@H]=C1\N=C(/c2ccccc12)N
2.InChI: InChI=1/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
3.InChIKey: RZVCEPSDYHAHLX-UHFFFAOYAU
4.Std. InChI: InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
5.Std. InChIKey: RZVCEPSDYHAHLX-UHFFFAOYSA-N